General Information of the Compound
| Compound ID |
CP0528044
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| Compound Name |
2-[4-[[7-chloro-6-(cyclopropylmethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]-1-oxophthalazin-2-yl]acetic acid
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| Structure |
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| Formula |
C22H19ClN4O4
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| Molecular Weight |
438.871
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| Canonical SMILES |
OC(=O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O
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| InChI |
InChI=1S/C22H19ClN4O4/c23-17-8-20-24-14(9-26(20)10-19(17)31-12-13-5-6-13)7-18-15-3-1-2-4-16(15)22(30)27(25-18)11-21(28)29/h1-4,8-10,13H,5-7,11-12H2,(H,28,29)
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| InChIKey |
VBGQQCRXEBOHKL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2